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BDBM107615 US8575157, 65

SMILES: CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1

InChI Key: InChIKey=NHDUOZUJFFAZCM-AFUZSHEJNA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 107615   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107615
PNG
(US8575157, 65)
Show SMILES CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1/C29H34N2O4/c1-5-30-17-15-24(19-26(30)32)23-13-11-22(12-14-23)21(2)31-18-16-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-15,17,19,21,34H,5,16,18,20H2,1-4H3/t21-,29-/s2
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US Patent
n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107615
PNG
(US8575157, 65)
Show SMILES CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1/C29H34N2O4/c1-5-30-17-15-24(19-26(30)32)23-13-11-22(12-14-23)21(2)31-18-16-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-15,17,19,21,34H,5,16,18,20H2,1-4H3/t21-,29-/s2
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US Patent
n/an/a 4.64n/an/an/an/an/an/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM107615
PNG
(US8575157, 65)
Show SMILES CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1/C29H34N2O4/c1-5-30-17-15-24(19-26(30)32)23-13-11-22(12-14-23)21(2)31-18-16-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-15,17,19,21,34H,5,16,18,20H2,1-4H3/t21-,29-/s2
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US Patent
n/an/a 2.50E+4n/an/an/an/an/a37



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation ...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107615
PNG
(US8575157, 65)
Show SMILES CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1/C29H34N2O4/c1-5-30-17-15-24(19-26(30)32)23-13-11-22(12-14-23)21(2)31-18-16-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-15,17,19,21,34H,5,16,18,20H2,1-4H3/t21-,29-/s2
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US Patent
n/an/a>5.00E+4n/an/an/an/an/a37



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM107615
PNG
(US8575157, 65)
Show SMILES CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1/C29H34N2O4/c1-5-30-17-15-24(19-26(30)32)23-13-11-22(12-14-23)21(2)31-18-16-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-15,17,19,21,34H,5,16,18,20H2,1-4H3/t21-,29-/s2
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US Patent
n/an/a>5.00E+4n/an/an/an/an/a37



Vitae Pharmaceuticals Inc

US Patent


Assay Description
The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylati...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair